1-methyl-3-(3-propan-2-ylphenyl)azetidine

C13H19N — CID 166510487

IUPAC1-methyl-3-(3-propan-2-ylphenyl)azetidine
SMILESCC(C)c1cccc(C2CN(C)C2)c1
InChIInChI=1S/C13H19N/c1-10(2)11-5-4-6-12(7-11)13-8-14(3)9-13/h4-7,10,13H,8-9H2,1-3H3
InChIKeyMCHSOTZZPPBYPI-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.84
Rot. Bonds2

About 1-methyl-3-(3-propan-2-ylphenyl)azetidine

1-methyl-3-(3-propan-2-ylphenyl)azetidine (PubChem CID 166510487) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-methyl-3-(3-propan-2-ylphenyl)azetidine.

Molecular Properties

Compound Name1-methyl-3-(3-propan-2-ylphenyl)azetidine
PubChem CID166510487
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-methyl-3-(3-propan-2-ylphenyl)azetidine
SMILESCC(C)c1cccc(C2CN(C)C2)c1
InChIInChI=1S/C13H19N/c1-10(2)11-5-4-6-12(7-11)13-8-14(3)9-13/h4-7,10,13H,8-9H2,1-3H3
InChIKeyMCHSOTZZPPBYPI-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone
CID 87872491
3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol
CID 116988907
1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone
CID 67401317
3-(3-methoxyphenyl)-1-propan-2-ylazetidine
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-propan-2-ylphenyl)azetidine?
The IUPAC name of 1-methyl-3-(3-propan-2-ylphenyl)azetidine (CID 166510487) is 1-methyl-3-(3-propan-2-ylphenyl)azetidine.
What is the SMILES notation for 1-methyl-3-(3-propan-2-ylphenyl)azetidine?
The canonical SMILES for 1-methyl-3-(3-propan-2-ylphenyl)azetidine is CC(C)c1cccc(C2CN(C)C2)c1.
What is the InChIKey of 1-methyl-3-(3-propan-2-ylphenyl)azetidine?
The InChIKey is MCHSOTZZPPBYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)11-5-4-6-12(7-11)13-8-14(3)9-13/h4-7,10,13H,8-9H2,1-3H3.
What are the key properties of 1-methyl-3-(3-propan-2-ylphenyl)azetidine?
1-methyl-3-(3-propan-2-ylphenyl)azetidine has a molecular weight of 189.30 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-propan-2-ylphenyl)azetidine is sourced from PubChem (CID 166510487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).